![Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate structure](/static/products/7012/701246-06-2.webp)
Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate
TL;DR: Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate (CAS 701246-06-2) is a chemical compound with molecular formula C20H22BrNO4 and molecular weight 419.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]benzoate
Also Known As: CBKinase1_005801, CBKinase1_018201, BRD-K16101988-001-01-7, methyl 2-(2-(2-bromo-4-(tert-butyl)phenoxy)acetamido)benzoate, methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate
| Molecular Formula | C20H22BrNO4 |
|---|---|
| Molecular Weight | 419.07 g/mol |
| LogP | 4.5507 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.0732 |
| Heavy Atoms | 26 |
| Complexity | 811.6987 |
Chemical Identifiers
| CAS Number | 701246-06-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)OC)Br |
Product Overview
Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate (CAS 701246-06-2), with molecular formula C20H22BrNO4 and molecular weight 419.07 g/mol. IUPAC: methyl 2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate
Property Insights of Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate
The XLogP value of 4.5507 indicates that Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate?
The CAS number of Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate is 701246-06-2.
What is the molecular formula of Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate?
The molecular formula of Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate is C20H22BrNO4.
What is the molecular weight of Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate?
The molecular weight of Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate is 419.07 g/mol.
Where can I buy Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate?
You can request a quote for Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(2-bromo-4-tert-butylphenoxy)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.